SCHEMBL7798801

SCHEMBL7798801

C/C=C/Cc1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.57
SLC9A2 Q9UBY0 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7798803 1.00 SLC9A1 (0.57) SLC9A1SLC9A2
SCHEMBL7799030 0.90 SLC9A1 (0.55) SLC9A1SLC9A2
SCHEMBL7799027 0.90 SLC9A1 (0.55) SLC9A1SLC9A2
SCHEMBL7800762 0.90 SLC9A1 (0.55) SLC9A1SLC9A2
SCHEMBL7800759 0.90 SLC9A1 (0.55) SLC9A1SLC9A2
SCHEMBL7792990 0.88 SLC9A1 (0.53) SLC9A1SLC9A2
SCHEMBL7792992 0.88 SLC9A1 (0.53) SLC9A1SLC9A2
SCHEMBL7798561 0.87 SLC9A1 (0.57) SLC9A1SLC9A2
Hydrochloric Acid SCHEMBL8813217 0.84 SLC9A1 (0.63) SLC9A1SLC9A2
SCHEMBL8666395 0.81 SLC9A1 (0.35) SLC9A1SLC9A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760365-B1 Alkenyl-benzoylguanidines MERCK PATENT GMBH (DE) 2001-01-03 EP disclosed
US-5731351-A Alkenyl-benzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US disclosed
EP-0760365-A2 Alkenyl-benzoylguanidines MERCK PATENT GmbH (DE) 1997-03-05 EP disclosed